SCHEMBL3438533

SCHEMBL3438533

O=C1CCC(c2cccs2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
POLB P06746 2/20 0.50
GAA P10253 2/20 0.50
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ESR2 Q92731 2/20 0.42
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
MAP1LC3B Q9GZQ8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HCAR2 Q8TDS4 1/20 0.38
BRD4 O60885 2/20 0.37
MAPK1 P28482 2/20 0.37
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25048712 0.90 MAPT (0.50) MAPTPOLBGAAALDH1A1MEN1
SCHEMBL497608 0.82
Hydrochloric Acid SCHEMBL11286601 0.80
SCHEMBL3438176 0.80 MAPT (0.47) MAPTPOLBGAAALDH1A1MEN1
SCHEMBL498606 0.78 MAPT (0.47) MAPTPOLBGAAALDH1A1MEN1
SCHEMBL8133890 0.78
SCHEMBL1781122 0.78 MAPT (0.57) MAPTPOLBGAAALDH1A1MEN1
Methylamine SCHEMBL28610020 0.76 MAPT (0.46) MAPTPOLBGAAALDH1A1MEN1
SCHEMBL663162 0.76 MAPT (0.46) MAPTPOLBGAAALDH1A1MEN1
Cyanide SCHEMBL27408712 0.76 MAPT (0.46) MAPTPOLBGAAALDH1A1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7807856-B2 Process for production of 2-Benzylphenol compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2010-10-05 US disclosed
US-7727979-B2 Guanidine derivatives and their use as neuropeptide FF receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-06-01 US disclosed
US-20080194882-A1 Process For Production of 2-Benzylphenol Compound IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2008-08-14 US disclosed
EP-1810957-A1 METHOD FOR PRODUCING 2-BENZYLPHENOL COMPOUND Ihara Chemical Industry Co., Ltd. (JP) 2007-07-25 EP disclosed
US-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2006-08-31 US disclosed
EP-1608662-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-12-28 EP disclosed
WO-2004083218-A1 GUANIDINE DERIVATIVES AND USE THEREOF AS NEUROPEPTIDE FF RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2004-09-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080194882-A1 Process For Production of 2-Benzylphenol Compound CYP1B1, CYP4B1, CYP1A1 MAPT 4506/4885POLB 2816/4885GAA 3701/4885
US-20060194788-A1 Guanidine derivatives and their use as neuropeptide ff receptor antagonists NPFFR1, OGFR, NPFFR2 MAPT 1891/4885POLB 3270/4885GAA 1530/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.